Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:30 UTC
Update Date2025-03-21 18:40:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130661
Frequency19.4
Structure
Chemical FormulaC6H9NO2
Molecular Mass127.0633
SMILESCN1CC=C(C(=O)O)C1
InChI KeyJTCLUVOKSLROST-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrroline carboxylic acids and derivatives
Direct Parent pyrroline carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid or derivatives
  • amino acid
  • tertiary aliphatic amine
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline carboxylic acid
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound